4-(3,3-dimethylbut-1-ynyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(3,3-dimethylbut-1-ynyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide Formula: C21H20F3NO2 MolecularWeight: 375.38421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)OC

Isomeric SMILES

CC(C)(C)C#CC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)OC

InChI

InChI=1S/C21H20F3NO2/c1-20(2,3)10-9-14-5-7-15(8-6-14)19(26)25-17-11-16(21(22,23)24)12-18(13-17)27-4/h5-8,11-13H,1-4H3,(H,25,26)